1H-Isoindol-1-one, 6-[[(3S)-4,4-difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-
Basic information
- CAS
2503325-22-0- Standard SMILES
C[C@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCC1(F)F- InChIKey
YQALLLNHBDHXFZ-SFHVURJKSA-N- Molecular formula
- C29H30F5N5O2
- Average molar mass
- 575.6 g/mol
- Monoisotopic mass
- 575.23196603
Names & identifiers
- Preferred name
- 1H-Isoindol-1-one, 6-[[(3S)-4,4-difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-
- IUPAC
- 6-[[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
Names & synonyms
CHEMBL6034890SCHEMBL22527934US11464802, Compound 9YQALLLNHBDHXFZ-SFHVURJKSA-NA64R75EW63BDBM5756401H-Isoindol-1-one, 6-[[(3S)-4,4-difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-2503325-22-06-[[(3S)-4,4-Difluoro-3-methyl-1-piperidinyl]methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one6-[[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
Database identifiers
- CAS
2503325-22-0- PubChem CID
- 155190639
- ChEMBL
CHEMBL6034890- UNII
- A64R75EW63
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 964
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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